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Compound Detail

CHEMBL14519

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CNC(=O)Nc1ccc2c(c1)Cc1c-2nc(O)c2nc(C(=O)O)cn12

Basic Information

ChEMBL ID CHEMBL14519
Phase Preclinical
Structure Type MOL
InChI Key PJBRFRSQMWGRGK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

339.3
MW (Da)
1.46
ALogP
6
HBA
4
HBD
128.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N5O4
MW 339.31
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.01

Activity Summary

IC50 2 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 8.05 8.05 9.0 1
Glutamate NMDA receptor
CHEMBL1907608
IC50 5.36 5.36 4330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10843235 10.1016/s0960-894x(00)00181-5 Mus musculus 3
10843235 10.1016/s0960-894x(00)00181-5 Glutamate receptor ionotropic, AMPA 1
10843235 10.1016/s0960-894x(00)00181-5 Glutamate NMDA receptor 1
10843235 10.1016/s0960-894x(00)00181-5 Glutamate receptor ionotropic, kainate 1
10843235 10.1016/s0960-894x(00)00181-5 No relevant target 1

Data from ChEMBL 36 via Core Engine